双(2-氯乙基)(4-硝基苄基)胺
TL;DR: 双(2-氯乙基)(4-硝基苄基)胺 (CAS 99840-09-2) is a chemical compound with molecular formula C11H14Cl2N2O2 and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-氯乙基)(4-硝基苄基)胺
2-chloro-N-(2-chloroethyl)-N-[(4-nitrophenyl)methyl]ethanamine
Also Known As: bis(2-chloroethyl)-(4-nitrobenzyl)amine, Bis-(2-Chloroethyl)-(4-nitrobenzyl)amine, 2-chloro-n-(2-chloroethyl)-n-(4-nitrobenzyl)ethanamine, 2-chloro-N-(2-chloroethyl)-N-[(4-nitrophenyl)methyl]ethanamine
| Molecular Formula | C11H14Cl2N2O2 |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.04324 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 99840-09-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN(CCCl)CCCl)[N+](=O)[O-] |
| InChIKey | VILGSMWHEGRABG-UHFFFAOYSA-N |
Product Overview
双(2-氯乙基)(4-硝基苄基)胺 (CAS 99840-09-2), with molecular formula C11H14Cl2N2O2 and molecular weight 276.04 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(4-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of 双(2-氯乙基)(4-硝基苄基)胺
Property Insights of 双(2-氯乙基)(4-硝基苄基)胺
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(2-氯乙基)(4-硝基苄基)胺. With a topological polar surface area (TPSA) of 49.1 Ų, 双(2-氯乙基)(4-硝基苄基)胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(2-氯乙基)(4-硝基苄基)胺 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双(2-氯乙基)(4-硝基苄基)胺?
The CAS number of 双(2-氯乙基)(4-硝基苄基)胺 is 99840-09-2.
What is the molecular formula of 双(2-氯乙基)(4-硝基苄基)胺?
The molecular formula of 双(2-氯乙基)(4-硝基苄基)胺 is C11H14Cl2N2O2.
What is the molecular weight of 双(2-氯乙基)(4-硝基苄基)胺?
The molecular weight of 双(2-氯乙基)(4-硝基苄基)胺 is 276.04 g/mol.
Where can I buy 双(2-氯乙基)(4-硝基苄基)胺?
You can request a quote for 双(2-氯乙基)(4-硝基苄基)胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-氯乙基)(4-硝基苄基)胺?
Yes, KEHONG BIO provides custom synthesis services for 双(2-氯乙基)(4-硝基苄基)胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.